3-[(2-chloro-1-benzofuran-3-yl)methylamino]cyclobutan-1-ol

C13H14ClNO2 — CID 82760208

IUPAC3-[(2-chloro-1-benzofuran-3-yl)methylamino]cyclobutan-1-ol
SMILESOC1CC(NCc2c(Cl)oc3ccccc23)C1
InChIInChI=1S/C13H14ClNO2/c14-13-11(7-15-8-5-9(16)6-8)10-3-1-2-4-12(10)17-13/h1-4,8-9,15-16H,5-7H2
InChIKeyOPNDVBTVZHLVMC-UHFFFAOYSA-N
MW251.71 g/mol
LogP2.70
Rot. Bonds3

About 3-[(2-chloro-1-benzofuran-3-yl)methylamino]cyclobutan-1-ol

3-[(2-chloro-1-benzofuran-3-yl)methylamino]cyclobutan-1-ol (PubChem CID 82760208) has the molecular formula C13H14ClNO2 and a molecular weight of 251.71 g/mol. Its IUPAC name is 3-[(2-chloro-1-benzofuran-3-yl)methylamino]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[(2-chloro-1-benzofuran-3-yl)methylamino]cyclobutan-1-ol
PubChem CID82760208
Molecular FormulaC13H14ClNO2
Molecular Weight251.71 g/mol
Exact Mass251.07
IUPAC Name3-[(2-chloro-1-benzofuran-3-yl)methylamino]cyclobutan-1-ol
SMILESOC1CC(NCc2c(Cl)oc3ccccc23)C1
InChIInChI=1S/C13H14ClNO2/c14-13-11(7-15-8-5-9(16)6-8)10-3-1-2-4-12(10)17-13/h1-4,8-9,15-16H,5-7H2
InChIKeyOPNDVBTVZHLVMC-UHFFFAOYSA-N
XLogP2.70
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.71
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-ethylcyclopropan-1-amine
CID 113341551
N-[(2-chloro-1-benzofuran-3-yl)methyl]-3-methylcyclohexan-1-amine
CID 82760454
N-[(2-chloro-1-benzofuran-3-yl)methyl]-3,3-dimethylcyclohexan-1-amine
CID 82760539
1-(2-chloro-1-benzofuran-3-yl)-N-methylmethanamine
CID 82704880
N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-cyclopropylethanamine
CID 82705158
3-[(2-chloro-1-benzofuran-3-yl)methylamino]propan-1-ol
CID 82705604
N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-methylprop-2-en-1-amine
CID 114615968
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-[(2-chloro-1-benzofuran-3-yl)methyl]methanamine
CID 82764479
N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-cyclopentylethanamine
CID 82759724
N-[(2-chloro-1-benzofuran-3-yl)methyl]-2,2,2-trifluoroethanamine
CID 82757959
2-[(2-chloro-1-benzofuran-3-yl)methyl]-1,1-dimethylhydrazine
CID 83004186
4-[(2-chloro-1-benzofuran-3-yl)methylamino]phenol
CID 82760456

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-1-benzofuran-3-yl)methylamino]cyclobutan-1-ol?
The IUPAC name of 3-[(2-chloro-1-benzofuran-3-yl)methylamino]cyclobutan-1-ol (CID 82760208) is 3-[(2-chloro-1-benzofuran-3-yl)methylamino]cyclobutan-1-ol.
What is the SMILES notation for 3-[(2-chloro-1-benzofuran-3-yl)methylamino]cyclobutan-1-ol?
The canonical SMILES for 3-[(2-chloro-1-benzofuran-3-yl)methylamino]cyclobutan-1-ol is OC1CC(NCc2c(Cl)oc3ccccc23)C1.
What is the InChIKey of 3-[(2-chloro-1-benzofuran-3-yl)methylamino]cyclobutan-1-ol?
The InChIKey is OPNDVBTVZHLVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO2/c14-13-11(7-15-8-5-9(16)6-8)10-3-1-2-4-12(10)17-13/h1-4,8-9,15-16H,5-7H2.
What are the key properties of 3-[(2-chloro-1-benzofuran-3-yl)methylamino]cyclobutan-1-ol?
3-[(2-chloro-1-benzofuran-3-yl)methylamino]cyclobutan-1-ol has a molecular weight of 251.71 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-1-benzofuran-3-yl)methylamino]cyclobutan-1-ol is sourced from PubChem (CID 82760208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).